[4-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate

Formula:C22H13NO5BrF Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate is a drug-like molecule.

MolName	[4-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate
MolecularFormula	C22H13NO5BrF
Smiles	[O-][N+](c1cccc(C(Oc(ccc(Br)c2)c2C(/C=C/c(cc2)ccc2F)=O)=O)c1)=O
InChI	InChI=1S/C22H13BrFNO5/c23-16-7-11-21(30-22(27)15-2-1-3-18(12-15)25(28)29)19(13-16)20(26)10-6-14-4-8-17(24)9-5-14/h1-13H
InChIK	WTMHFQIIPOSCBJ-UHFFFAOYSA-N
TotalMolweight	470.249
Molweight	470.249
MonoisotopicMass	468.996113
CLogP	4.6387
CLogS	-6.918
H Acceptors	6
TotalSurfaceArea	313.43
Relative PSA	0.21217
PolarSurfaceArea	89.19
Druglikeness	-8.0784
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [4-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate | 2 - [4-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate

Request More Details | [4-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] 3-nitrobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments